1,3-dimethyl-5-(2-piperazin-1-ylethyl)benzimidazol-2-one

C15H22N4O — CID 96680180

IUPAC1,3-dimethyl-5-(2-piperazin-1-ylethyl)benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(CCN3CCNCC3)ccc21
InChIInChI=1S/C15H22N4O/c1-17-13-4-3-12(11-14(13)18(2)15(17)20)5-8-19-9-6-16-7-10-19/h3-4,11,16H,5-10H2,1-2H3
InChIKeyZEWPQSYPIRMANA-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.32
Rot. Bonds3

About 1,3-dimethyl-5-(2-piperazin-1-ylethyl)benzimidazol-2-one

1,3-dimethyl-5-(2-piperazin-1-ylethyl)benzimidazol-2-one (PubChem CID 96680180) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-piperazin-1-ylethyl)benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-piperazin-1-ylethyl)benzimidazol-2-one
PubChem CID96680180
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1,3-dimethyl-5-(2-piperazin-1-ylethyl)benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(CCN3CCNCC3)ccc21
InChIInChI=1S/C15H22N4O/c1-17-13-4-3-12(11-14(13)18(2)15(17)20)5-8-19-9-6-16-7-10-19/h3-4,11,16H,5-10H2,1-2H3
InChIKeyZEWPQSYPIRMANA-UHFFFAOYSA-N
XLogP0.32
TPSA42.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(1,4-diazepan-1-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one
CID 98033822
3-[3-methyl-2-oxo-5-(2-piperazin-1-ylethyl)benzimidazol-1-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 175889280
1-[2-(3-ethyl-4-methylphenyl)ethyl]piperazine
CID 84696121
1-methyl-6-(2-piperazin-1-ylethyl)benzimidazole
CID 117363225
5-(1,3-dioxolan-2-ylmethyl)-3-methyl-1-piperazin-1-ylbenzimidazol-2-one
CID 175872542
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine
CID 82130408
1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine
CID 82264462
1-[2-(3,4-dimethylphenyl)ethyl]-1,4-diazepane
CID 82289921
1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950
1-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]piperazine
CID 117389286
2-fluoro-N,N-dimethyl-5-(2-piperazin-1-ylethyl)aniline
CID 117111789
1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one
CID 82500378

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2-piperazin-1-ylethyl)benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-(2-piperazin-1-ylethyl)benzimidazol-2-one (CID 96680180) is 1,3-dimethyl-5-(2-piperazin-1-ylethyl)benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-(2-piperazin-1-ylethyl)benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-(2-piperazin-1-ylethyl)benzimidazol-2-one is Cn1c(=O)n(C)c2cc(CCN3CCNCC3)ccc21.
What is the InChIKey of 1,3-dimethyl-5-(2-piperazin-1-ylethyl)benzimidazol-2-one?
The InChIKey is ZEWPQSYPIRMANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-17-13-4-3-12(11-14(13)18(2)15(17)20)5-8-19-9-6-16-7-10-19/h3-4,11,16H,5-10H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(2-piperazin-1-ylethyl)benzimidazol-2-one?
1,3-dimethyl-5-(2-piperazin-1-ylethyl)benzimidazol-2-one has a molecular weight of 274.37 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-piperazin-1-ylethyl)benzimidazol-2-one is sourced from PubChem (CID 96680180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).